Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules

We use a unique combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to th...

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Bibliographic Details
Published in:	Physical review. B, Condensed matter and materials physics Vol. 80; no. 15
Main Authors:	Dias da Silva, Luis G. G. V., Tiago, Murilo L., Ulloa, Sergio E., Reboredo, Fernando A., Dagotto, Elbio
Format:	Journal Article
Language:	English
Published:	United States 01-10-2009
Subjects:	COBALT COMPOUNDS COPPER ELECTRONIC STRUCTURE KONDO EFFECT MATERIALS SCIENCE PORPHYRINS SUBSTRATES
Online Access:	Get full text
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Summary:	We use a unique combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to the surface, which can explain the variations observed in recent scanning tunneling spectroscopy measurements. We discuss the importance of manybody effects in the molecular electronic structure controlling this phenomenon and suggest scenarios where enhanced temperatures can be achieved in experiments.
Bibliography:	DE-AC05-00OR22725 USDOE Office of Science (SC)
ISSN:	1098-0121 1550-235X
DOI:	10.1103/PhysRevB.80.155443